SCHEMBL12840887

SCHEMBL12840887

CCCc1nn(C)c2c(Nc3ccc(C)cn3)nc(NC3CNC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.42
KCNH2 Q12809 2/20 0.39
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
SYK P43405 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1C Q14123 1/20 0.33
KAT2B Q92831 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12840888 0.82 PDE5A (0.46) PDE5APDE3BPDE3APDE10AMEN1
SCHEMBL4040447 0.80 PDE5A (0.41) PDE5APDE3BPDE3APDE10AMEN1
SCHEMBL12768644 0.79 PDE5A (0.65) PDE5AKCNH2
SCHEMBL12768650 0.77 PDE5A (0.53) PDE5AKCNH2
SCHEMBL12768723 0.77 PDE5A (0.53) PDE5AKCNH2
SCHEMBL8234843 0.76 PDE5A (0.51) PDE5AKCNH2HDAC1HDAC6HDAC3
SCHEMBL12768731 0.69 PDE5A (0.55) PDE5AKCNH2
SCHEMBL8299204 0.68 PDE5A (0.77) PDE5AKCNH2
Hydrochloric Acid SCHEMBL4040535 0.67 PDE5A (0.75) PDE5AKCNH2
SCHEMBL19633741 0.66 RAB9A (0.49) PDE10AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518956-B2 1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl) piperidine-4-carboxylic acid and salts thereof PHARMACIA & UPJOHN COMPANY LLC (US) 2013-08-27 US disclosed
US-20110059993-A1 1-(1-(2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino)-1H-Pyrazolo[4,3-D]Pyrimidin-5-YL) Piperidine-4-Carboxylic Acid And Salts Thereof PFIZER INC. 2011-03-10 US disclosed
EP-1948661-B1 PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)DERIVATIVE USED AS PDE5 INHIBITORS PFIZER PROD INC (US) 2009-07-08 EP disclosed
US-20090156618-A1 1-(1- (2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino) - 1H-Pyrazolo [4,3-D] Pyrimidin-5-YL) Piperidine-4-Carboxylic acid and salts thereof PFIZER INC 2009-06-18 US disclosed
US-20090156618-A1 1-(1- (2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino) - 1H-Pyrazolo [4,3-D] Pyrimidin-5-YL) Piperidine-4-Carboxylic acid and salts thereof PFIZER INC 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110059993-A1 1-(1-(2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino)-1H-Pyrazolo[4,3-D]Pyrimidin-5-YL) Piperidine-4-Carboxylic Acid And Salts Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT, CYP3A7 PDE5A 681/4885KCNH2 808/4885PDE3B 471/4885
US-20090156618-A1 1-(1- (2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino) - 1H-Pyrazolo [4,3-D] Pyrimidin-5-YL) Piperidine-4-Carboxylic acid and salts thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT, CYP3A7 PDE5A 681/4885KCNH2 808/4885PDE3B 471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.